3-(4-propylphenoxy)piperidine hydrochloride

• ChemBase ID: 47278
• Molecular Formular: C14H22ClNO
• Molecular Mass: 255.78358
• Monoisotopic Mass: 255.13899201
• SMILES: N1CC(Oc2ccc(cc2)CCC)CCC1.Cl
• Canonical SMILES: CCCc1ccc(cc1)OC1CCCNC1.Cl
• InChI: InChI=1S/C14H21NO.ClH/c1-2-4-12-6-8-13(9-7-12)16-14-5-3-10-15-11-14;/h6-9,14-15H,2-5,10-11H2,1H3;1H
• InChIKey: OMFMDXAYJSXJSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-propylphenoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(4-propylphenoxy)piperidine hydrochloride
• Synonyms: 3-(4-Propylphenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561152
• PubChem SID: 162052041
• PubChem CID: 53409336

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.2600938
• Log P: 3.3192945
• Molar Refractivity: 66.7 cm^3
• Polarizability: 26.481773 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.14939539

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false